| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:29 UTC |
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| Update Date | 2025-03-21 18:03:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042070 |
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| Frequency | 110.5 |
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| Structure | |
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| Chemical Formula | C9H7NO2 |
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| Molecular Mass | 161.0477 |
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| SMILES | O=C1Cc2ccccc2C(=O)N1 |
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| InChI Key | QGNQEODJYRGEJX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | isoquinolines and derivatives |
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| Subclass | 1,3-isoquinolinediones |
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| Direct Parent | 1,3-isoquinolinediones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesdicarboximideshydrocarbon derivativesisoquinolones and derivativesn-unsubstituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstetrahydroisoquinolines |
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| Substituents | carbonyl groupazacyclecarboxylic acid derivative1,3-isoquinolinedionecarboxylic acid imidecarboxylic acid imide, n-unsubstitutedorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundisoquinolonehydrocarbon derivativebenzenoiddicarboximideorganic nitrogen compoundorganooxygen compound |
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